NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1113 8.2549 120.8413 55.0215 31.4582 175.2076 2 P 3.9873 0.0000 0.0000 60.7134 31.9817 175.8765 3 D 4.3741 8.3483 122.2523 56.2543 39.9131 178.0143 4 F 4.5238 7.6633 114.5155 58.7310 37.9385 177.2680 5 C 4.4309 7.5294 116.4704 58.4717 40.3117 173.9313 6 L 4.3726 7.5298 118.8600 54.7625 42.1470 176.8114 7 E 4.2659 7.5219 118.5423 55.2491 30.0406 175.0749 8 P 4.5594 0.0000 0.0000 61.1860 32.2125 174.6515 9 P 3.5724 0.0000 0.0000 62.8302 31.2755 175.5837 10 Y 4.6123 7.7775 121.8241 55.9899 39.4747 175.1962 11 T 4.2035 7.6883 124.9341 64.4977 68.8063 176.2218 12 G 3.7150 6.9252 104.2847 44.2089 0.0000 171.3274 13 P 4.3089 0.0000 0.0000 65.0700 32.0092 177.9638 14 C 4.4748 7.9000 115.8644 57.0305 40.6349 173.4471 15 K 4.6689 8.1652 119.2223 56.1113 32.4913 176.5464 16 A 4.3027 7.9405 121.3395 51.4044 20.7996 177.6441 17 R 4.6023 8.3324 118.7838 54.3295 31.1517 172.9764 18 I 4.4634 8.5406 125.2714 58.8785 40.1217 174.6648 19 I 4.3830 8.3392 128.6324 61.1856 37.7618 175.3784 20 R 4.6796 8.3484 125.6166 54.5472 34.6755 173.5604 21 Y 5.7146 9.3258 116.9885 56.7778 41.1734 175.4920 22 F 5.6931 9.8412 117.0262 55.5120 42.0997 172.8789 23 Y 4.4484 9.8811 123.1702 57.3192 39.4208 174.4930 24 N 4.3922 8.4181 127.5019 52.0045 39.1838 175.4454 25 A 3.8197 8.6820 129.7227 55.1421 18.7886 178.2630 26 K 3.8334 8.2182 114.8596 59.1270 32.1519 177.0041 27 A 4.2637 7.8823 119.8356 51.7806 19.8593 177.9203 28 G 3.7982 9.9947 103.4841 45.0019 0.0000 172.3093 29 L 4.4038 6.6789 118.7844 54.7525 44.0228 174.1988 30 C 4.9989 8.5379 116.3030 56.3615 39.1333 173.3953 31 Q 4.9267 8.9544 121.8340 54.4837 33.0936 173.9686 32 T 5.7505 8.8288 109.5846 60.1276 71.1475 173.6273 33 F 5.0050 8.2195 116.4526 55.6872 42.3908 172.8745 34 V 4.1997 8.4280 119.3796 62.1028 32.7504 173.6259 35 Y 4.7014 9.0968 131.1259 56.0006 40.1304 176.6121 36 G 3.6838 8.4552 114.0430 46.6775 0.0000 174.9931 37 G 3.8480 6.7511 106.7437 45.2042 0.0000 172.1407 38 C 4.8452 7.1515 111.8862 55.1711 44.1998 173.0869 39 R 3.8504 8.8013 116.3217 57.0393 27.0699 176.8706 40 A 4.2790 8.4116 119.3583 52.5645 19.0019 178.5626 41 K 4.3856 8.3145 121.1767 54.9797 34.2125 176.9818 42 R 3.5640 8.0894 117.7346 59.2318 30.4670 177.5123 43 N 4.6728 7.7527 117.2489 52.0001 37.6437 175.6944 44 N 5.0463 6.6306 116.6927 52.8061 41.0980 172.8065 45 F 5.0553 9.7798 125.7142 55.6261 41.7986 176.8985 46 K 4.4712 8.8354 121.7216 57.5270 32.4842 177.3093 47 S 4.5910 7.6551 112.7307 56.3476 66.6366 175.3824 48 A 3.4792 7.5564 126.7322 55.3218 18.0229 180.5399 49 E 3.7989 7.8268 116.5272 61.4705 29.7768 181.9731 50 D 4.4651 7.6479 120.0346 57.0846 40.7816 178.1516 51 C 2.0000 7.4350 118.9916 59.2791 44.5658 175.6268 52 M 3.8798 8.2385 120.6257 58.0705 31.2496 178.8409 53 R 3.7868 7.8937 118.4836 59.6489 30.3939 178.5321 54 T 4.0144 7.7839 114.3521 66.6079 68.6720 175.4723 55 C 4.4808 7.9776 115.8185 57.0368 41.3636 174.2106 56 G 3.8781 7.5427 113.7993 45.9053 0.0000 172.9950 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 R 8.25 4.11 0.00 1.65 1.80 0.00 3.13 0.00 0.00 2.86 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.49 0.00 2 P 0.00 3.99 0.00 1.03 1.46 0.00 3.32 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.94 0.00 3 D 8.35 4.37 0.00 2.86 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 F 7.66 4.52 0.00 3.25 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 C 7.53 4.43 0.00 2.95 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.53 4.37 0.00 1.68 1.75 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.52 4.27 0.00 2.22 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 8 P 0.00 4.56 0.00 1.99 1.96 0.00 3.70 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 9 P 0.00 3.57 0.00 0.86 0.49 0.00 3.37 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.44 0.00 10 Y 7.78 4.61 0.00 2.79 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.69 4.20 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 12 G 6.93 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.31 0.00 2.16 2.18 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 14 C 7.90 4.47 0.00 2.78 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.17 4.67 0.00 1.65 1.72 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.46 7.81 16 A 7.94 4.30 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.33 4.60 0.00 1.72 1.76 0.00 3.31 0.00 0.00 3.18 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.52 0.00 18 I 8.54 4.46 2.01 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.84 0.97 0.00 0.00 19 I 8.34 4.38 1.76 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.67 0.71 0.00 0.00 20 R 8.35 4.68 0.00 0.79 1.84 0.00 3.35 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.39 0.00 21 Y 9.33 5.71 0.00 3.24 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 9.84 5.69 0.00 3.23 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 9.88 4.45 0.00 2.99 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.42 4.39 0.00 2.04 2.38 0.00 0.00 6.64 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.68 3.82 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.22 3.83 0.00 1.73 2.05 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.48 7.81 27 A 7.88 4.26 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 9.99 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 6.68 4.40 0.00 1.65 1.69 0.81 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.54 5.00 0.00 2.86 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.95 4.93 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.73 0.00 0.00 0.00 0.00 0.00 2.15 1.91 0.00 32 T 8.83 5.75 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 33 F 8.22 5.01 0.00 2.92 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.43 4.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.90 0.00 0.00 35 Y 9.10 4.70 0.00 2.43 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.46 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 6.75 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 C 7.15 4.85 0.00 3.05 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.80 3.85 0.00 2.26 2.25 0.00 3.45 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 40 A 8.41 4.28 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.31 4.39 0.00 1.75 1.69 0.00 1.53 0.00 0.00 1.50 0.00 0.00 2.43 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 1.06 7.81 42 R 8.09 3.56 0.00 1.17 0.66 0.00 3.01 0.00 0.00 2.85 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.21 0.00 43 N 7.75 4.67 0.00 3.18 2.86 0.00 0.00 6.66 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 6.63 5.05 0.00 2.67 2.60 0.00 0.00 7.11 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 9.78 5.06 0.00 3.30 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.84 4.47 0.00 1.85 1.95 0.00 1.83 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.46 7.81 47 S 7.66 4.59 0.00 3.92 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.56 3.48 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.83 3.80 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.97 0.00 50 D 7.65 4.47 0.00 2.70 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.43 2.00 0.00 2.60 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 M 8.24 3.88 0.00 1.93 2.07 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.68 0.00 53 R 7.89 3.79 0.00 1.71 2.00 0.00 3.24 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 54 T 7.78 4.01 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 55 C 7.98 4.48 0.00 2.67 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.54 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00